IBS-ZINC01297004 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0260 1.5030 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0040 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.6330 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -2.0460 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -2.6350 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.7840 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -4.1790 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -4.8260 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -4.1060 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -2.7290 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 -2.0500 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -0.6740 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 0.0840 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 0.3590 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -0.0380 -2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 1.0470 -1.6030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 1.3870 -2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 0.5200 -3.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.8580 -5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 2.0600 -5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 2.9250 -4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 2.5890 -3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 2.5190 -7.2650 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.8830 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8680 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.8480 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -0.0570 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -4.7440 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -5.9050 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -4.6320 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3700 -2.1780 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -0.4960 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 1.0270 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 1.3070 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -0.4170 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 0.1850 -6.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 3.8630 -4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 3.2630 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END